[acetyloxy-[2-[(1S)-1-methoxyethyl]-6-phenylmethoxyphenyl]-λ3-iodanyl] acetate

C20H23IO6 — CID 10743527

IUPAC[acetyloxy-[2-[(1S)-1-methoxyethyl]-6-phenylmethoxyphenyl]-λ3-iodanyl] acetate
SMILESCO[C@@H](C)c1cccc(OCc2ccccc2)c1I(OC(C)=O)OC(C)=O
InChIInChI=1S/C20H23IO6/c1-14(24-4)18-11-8-12-19(25-13-17-9-6-5-7-10-17)20(18)21(26-15(2)22)27-16(3)23/h5-12,14H,13H2,1-4H3/t14-/m0/s1
InChIKeyNUIKVCZCPUCCGI-AWEZNQCLSA-N
MW486.30 g/mol
LogP4.61
Rot. Bonds8

About [acetyloxy-[2-[(1S)-1-methoxyethyl]-6-phenylmethoxyphenyl]-λ3-iodanyl] acetate

[acetyloxy-[2-[(1S)-1-methoxyethyl]-6-phenylmethoxyphenyl]-λ3-iodanyl] acetate (PubChem CID 10743527) has the molecular formula C20H23IO6 and a molecular weight of 486.30 g/mol. Its IUPAC name is [acetyloxy-[2-[(1S)-1-methoxyethyl]-6-phenylmethoxyphenyl]-λ3-iodanyl] acetate.

Molecular Properties

Compound Name[acetyloxy-[2-[(1S)-1-methoxyethyl]-6-phenylmethoxyphenyl]-λ3-iodanyl] acetate
PubChem CID10743527
Molecular FormulaC20H23IO6
Molecular Weight486.30 g/mol
Exact Mass486.05
IUPAC Name[acetyloxy-[2-[(1S)-1-methoxyethyl]-6-phenylmethoxyphenyl]-λ3-iodanyl] acetate
SMILESCO[C@@H](C)c1cccc(OCc2ccccc2)c1I(OC(C)=O)OC(C)=O
InChIInChI=1S/C20H23IO6/c1-14(24-4)18-11-8-12-19(25-13-17-9-6-5-7-10-17)20(18)21(26-15(2)22)27-16(3)23/h5-12,14H,13H2,1-4H3/t14-/m0/s1
InChIKeyNUIKVCZCPUCCGI-AWEZNQCLSA-N
XLogP4.61
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.30
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-phenylmethoxyphenyl)propanoate
CID 54327103
(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475
(4S)-4-phenyl-4-(2-phenylmethoxyphenyl)butan-2-one
CID 59906121
methyl 3-hydroxy-2-(2-phenylmethoxyphenyl)butanoate
CID 11990868
(2-methyl-6-phenylmethoxyphenyl) acetate
CID 67719682
(2-hydroxy-3-phenylmethoxyphenyl)methanediol
CID 155107233
(4-phenylmethoxy-3-propan-2-ylphenyl) acetate
CID 19030080
2-hydroxy-3-[1-(2-phenylmethoxyphenyl)propyl]benzoic acid
CID 67659398
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
methane;4-methoxy-5-phenylmethoxypentan-2-one
CID 159731500
2-(2-methyl-6-phenylmethoxyphenyl)acetic acid
CID 14519888
3-(2-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoic acid
CID 117461801

Frequently Asked Questions

What is the IUPAC name of [acetyloxy-[2-[(1S)-1-methoxyethyl]-6-phenylmethoxyphenyl]-λ3-iodanyl] acetate?
The IUPAC name of [acetyloxy-[2-[(1S)-1-methoxyethyl]-6-phenylmethoxyphenyl]-λ3-iodanyl] acetate (CID 10743527) is [acetyloxy-[2-[(1S)-1-methoxyethyl]-6-phenylmethoxyphenyl]-λ3-iodanyl] acetate.
What is the SMILES notation for [acetyloxy-[2-[(1S)-1-methoxyethyl]-6-phenylmethoxyphenyl]-λ3-iodanyl] acetate?
The canonical SMILES for [acetyloxy-[2-[(1S)-1-methoxyethyl]-6-phenylmethoxyphenyl]-λ3-iodanyl] acetate is CO[C@@H](C)c1cccc(OCc2ccccc2)c1I(OC(C)=O)OC(C)=O.
What is the InChIKey of [acetyloxy-[2-[(1S)-1-methoxyethyl]-6-phenylmethoxyphenyl]-λ3-iodanyl] acetate?
The InChIKey is NUIKVCZCPUCCGI-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23IO6/c1-14(24-4)18-11-8-12-19(25-13-17-9-6-5-7-10-17)20(18)21(26-15(2)22)27-16(3)23/h5-12,14H,13H2,1-4H3/t14-/m0/s1.
What are the key properties of [acetyloxy-[2-[(1S)-1-methoxyethyl]-6-phenylmethoxyphenyl]-λ3-iodanyl] acetate?
[acetyloxy-[2-[(1S)-1-methoxyethyl]-6-phenylmethoxyphenyl]-λ3-iodanyl] acetate has a molecular weight of 486.30 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-[2-[(1S)-1-methoxyethyl]-6-phenylmethoxyphenyl]-λ3-iodanyl] acetate is sourced from PubChem (CID 10743527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).